4-N-[3-(aminomethyl)phenyl]-6-N-(2-methylpropyl)pyrimidine-4,6-diamine

C15H21N5 — CID 174295030

IUPAC4-N-[3-(aminomethyl)phenyl]-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCC(C)CNc1cc(Nc2cccc(CN)c2)ncn1
InChIInChI=1S/C15H21N5/c1-11(2)9-17-14-7-15(19-10-18-14)20-13-5-3-4-12(6-13)8-16/h3-7,10-11H,8-9,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyHPQLQEDOJMFRIT-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.75
Rot. Bonds6

About 4-N-[3-(aminomethyl)phenyl]-6-N-(2-methylpropyl)pyrimidine-4,6-diamine

4-N-[3-(aminomethyl)phenyl]-6-N-(2-methylpropyl)pyrimidine-4,6-diamine (PubChem CID 174295030) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-N-[3-(aminomethyl)phenyl]-6-N-(2-methylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-(aminomethyl)phenyl]-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
PubChem CID174295030
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-N-[3-(aminomethyl)phenyl]-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCC(C)CNc1cc(Nc2cccc(CN)c2)ncn1
InChIInChI=1S/C15H21N5/c1-11(2)9-17-14-7-15(19-10-18-14)20-13-5-3-4-12(6-13)8-16/h3-7,10-11H,8-9,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyHPQLQEDOJMFRIT-UHFFFAOYSA-N
XLogP2.75
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-[3-(aminomethyl)phenyl]-6-N-(2-methylpropyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[3-(aminomethyl)anilino]pyrimidin-4-yl]hydroxylamine
CID 174299502
4-N-(4-ethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855351
4-N-(4-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855340
4-N-(4-chlorophenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855365
6-N-(2-methylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112855389
6-hydrazinyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 80932371
3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
CID 174680323
4-N-(3-chloro-2-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855366
4-N-(2,4-dimethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855344
N-[3-(aminomethyl)phenyl]quinoxalin-2-amine
CID 63767788
4-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-4,6-diamine
CID 66670014
3-(aminomethyl)-N-propan-2-ylaniline
CID 47003536

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(aminomethyl)phenyl]-6-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-(aminomethyl)phenyl]-6-N-(2-methylpropyl)pyrimidine-4,6-diamine (CID 174295030) is 4-N-[3-(aminomethyl)phenyl]-6-N-(2-methylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-(aminomethyl)phenyl]-6-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-(aminomethyl)phenyl]-6-N-(2-methylpropyl)pyrimidine-4,6-diamine is CC(C)CNc1cc(Nc2cccc(CN)c2)ncn1.
What is the InChIKey of 4-N-[3-(aminomethyl)phenyl]-6-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The InChIKey is HPQLQEDOJMFRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11(2)9-17-14-7-15(19-10-18-14)20-13-5-3-4-12(6-13)8-16/h3-7,10-11H,8-9,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-[3-(aminomethyl)phenyl]-6-N-(2-methylpropyl)pyrimidine-4,6-diamine?
4-N-[3-(aminomethyl)phenyl]-6-N-(2-methylpropyl)pyrimidine-4,6-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(aminomethyl)phenyl]-6-N-(2-methylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 174295030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).